3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid

C12H14N2O5S — CID 83173822

IUPAC3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid
SMILESCOc1cccc2c1c(S(N)(=O)=O)cn2CCC(=O)O
InChIInChI=1S/C12H14N2O5S/c1-19-9-4-2-3-8-12(9)10(20(13,17)18)7-14(8)6-5-11(15)16/h2-4,7H,5-6H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyADHGYAQKURNBDT-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.77
Rot. Bonds5

About 3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid

3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid (PubChem CID 83173822) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid
PubChem CID83173822
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid
SMILESCOc1cccc2c1c(S(N)(=O)=O)cn2CCC(=O)O
InChIInChI=1S/C12H14N2O5S/c1-19-9-4-2-3-8-12(9)10(20(13,17)18)7-14(8)6-5-11(15)16/h2-4,7H,5-6H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyADHGYAQKURNBDT-UHFFFAOYSA-N
XLogP0.77
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide
CID 83166305
4-methoxy-1-propylindole-3-sulfonyl chloride
CID 83162428
1-(difluoromethyl)-4-methoxyindole-3-sulfonamide
CID 83174365
1-(3-fluoropropyl)-4-methoxyindole-3-sulfonyl chloride
CID 83162584
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
4-fluoro-1-pentylindole-3-sulfonamide
CID 82793460
4-[(4-methoxy-1-methylindazol-3-yl)amino]-4-oxobutanoic acid
CID 2811432
2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid
CID 115073382
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
1-(4-methoxybutyl)indole-3-sulfonamide
CID 113437295
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203
1-(2-methoxyethyl)-4-propan-2-yloxyindole-3-sulfonyl chloride
CID 83165314

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid?
The IUPAC name of 3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid (CID 83173822) is 3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid?
The canonical SMILES for 3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid is COc1cccc2c1c(S(N)(=O)=O)cn2CCC(=O)O.
What is the InChIKey of 3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid?
The InChIKey is ADHGYAQKURNBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-19-9-4-2-3-8-12(9)10(20(13,17)18)7-14(8)6-5-11(15)16/h2-4,7H,5-6H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of 3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid?
3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid has a molecular weight of 298.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-sulfamoylindol-1-yl)propanoic acid is sourced from PubChem (CID 83173822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).